SCHEMBL28055008

SCHEMBL28055008

C=C(C)C(=O)OCCCCCP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CDC25A P30304 1/20 0.39
AGTR1 P30556 1/20 0.39
AKT1 P31749 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27532967 1.00 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28062033 1.00 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19717894 0.90 CHRM5 (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27910406 0.88 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2946928 0.87 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2946708 0.86 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14163983 0.84 THRB (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2122717 0.83 LMNA (0.60) TSHRLMNAESR1ADORA3CDC25A
SCHEMBL2120096 0.83 LMNA (0.60) TSHRLMNAESR1ADORA3CDC25A
SCHEMBL2117527 0.83 LMNA (0.60) TSHRLMNAESR1ADORA3CDC25A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106333881-A Moistening, bubbly and stable cream bath combination 澳宝化妆品(惠州)有限公司 2017-01-18 CN claimed
CN-110195072-A Rabies vacciness 库瑞瓦格股份公司 2019-09-03 CN disclosed
CN-107722321-B The method of two kinds of phosphoryl choline polymer bionic coating Chitosan films containing epoxy and amino 西安科技大学 2019-08-13 CN disclosed
CN-107722321-A The method of two kinds of phosphoryl choline polymer bionic coating Chitosan films containing epoxy and amino 西安科技大学 2018-02-23 CN disclosed
CN-105517569-A Rabies vaccine CUREVAC GMBH 2016-04-20 CN disclosed
CN-105473158-A Respiratory syncytial virus (RSV) vaccine CUREVAC GMBH 2016-04-06 CN disclosed